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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 225289   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM225289
PNG
(1,1''-bis(2-Fluorobenzyl)-[3,3':3'...)
Show SMILES Fc1ccccc1Cn1cc(c2ccccc12)C1(C(=O)Nc2ccccc12)c1cn(Cc2ccccc2F)c2ccccc12
Show InChI InChI=1S/C38H27F2N3O/c39-32-16-6-1-11-25(32)21-42-23-30(27-13-3-9-19-35(27)42)38(29-15-5-8-18-34(29)41-37(38)44)31-24-43(36-20-10-4-14-28(31)36)22-26-12-2-7-17-33(26)40/h1-20,23-24H,21-22H2,(H,41,44)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.90E+3n/an/an/an/an/an/a



Babasaheb Bhimrao Ambedkar University (A Central University)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-d-glucopyranoside as substrate preincubated for 15 mins followed by substr...


Eur J Med Chem 176: 343-377 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.025
BindingDB Entry DOI: 10.7270/Q2N87F09
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM225289
PNG
(1,1''-bis(2-Fluorobenzyl)-[3,3':3'...)
Show SMILES Fc1ccccc1Cn1cc(c2ccccc12)C1(C(=O)Nc2ccccc12)c1cn(Cc2ccccc2F)c2ccccc12
Show InChI InChI=1S/C38H27F2N3O/c39-32-16-6-1-11-25(32)21-42-23-30(27-13-3-9-19-35(27)42)38(29-15-5-8-18-34(29)41-37(38)44)31-24-43(36-20-10-4-14-28(31)36)22-26-12-2-7-17-33(26)40/h1-20,23-24H,21-22H2,(H,41,44)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 5.98E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL32


(Saccharomyces cerevisiae)
BDBM225289
PNG
(1,1''-bis(2-Fluorobenzyl)-[3,3':3'...)
Show SMILES Fc1ccccc1Cn1cc(c2ccccc12)C1(C(=O)Nc2ccccc12)c1cn(Cc2ccccc2F)c2ccccc12
Show InChI InChI=1S/C38H27F2N3O/c39-32-16-6-1-11-25(32)21-42-23-30(27-13-3-9-19-35(27)42)38(29-15-5-8-18-34(29)41-37(38)44)31-24-43(36-20-10-4-14-28(31)36)22-26-12-2-7-17-33(26)40/h1-20,23-24H,21-22H2,(H,41,44)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 5.98E+3n/an/an/an/a6.837



Jishou University



Assay Description
The α-glucosidase inhibition assay had been carried out using baker's yeast α-glucosidase (EC 3.2.1.20) and p-nitrophenyl α-d-gluco...


Bioorg Chem 72: 228-233 (2017)


BindingDB Entry DOI: 10.7270/Q2DV1HSV
More data for this
Ligand-Target Pair